SCHEMBL28518232

SCHEMBL28518232

CCOC(=O)CN1CCN(C(=O)O)C(C(C)(C)C)C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.34
▸ GAA P10253 2/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ ALOX12 P18054 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ HSD11B1 P28845 1/20 0.34
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ GSK3A P49840 1/20 0.33
▸ GSK3B P49841 1/20 0.33
▸ ELANE P08246 1/20 0.31
▸ PKM P14618 1/20 0.31
▸ MGAM O43451 1/20 0.31
▸ SI P14410 1/20 0.31
▸ MGAM2 Q2M2H8 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL18691907 0.81 HSD11B1 (0.43) KDM4EGAAALDH1A1LMNAHSD11B1
SCHEMBL27586599 0.78 KDM4E (0.35) KDM4EALDH1A1HSD11B1SMN1; SMN2PKM
SCHEMBL23256335 0.76 MAPT (0.33) LMNAMAPTFKBP1A
SCHEMBL2076961 0.75 MAPK1 (0.37) KDM4EGAAALDH1A1LMNAHSD11B1
SCHEMBL16116269 0.74 KDM4E (0.48) KDM4EGAAALDH1A1LMNAKMT2A
SCHEMBL4574999 0.74 KDM4E (0.48) KDM4EGAAALDH1A1LMNAKMT2A
SCHEMBL3572416 0.74 ALOX15 (0.36) —
SCHEMBL16099560 0.74 — —
SCHEMBL21820340 0.74 P2RX7 (0.32) —
SCHEMBL3504744 0.74 KDM2B (0.30) —

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107226807-B Tankyrase inhibitors 北京四环制药有限公司 2021-01-01 — — CN disclosed
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